9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C169H134N6O6 — CID 161278527

About 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 161278527) has the molecular formula C169H134N6O6 and a molecular weight of 2344.97 g/mol. Its IUPAC name is 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 161278527
• Molecular Formula: C169H134N6O6
• Molecular Weight: 2344.97 g/mol
• Exact Mass: 2343.04
• IUPAC Name: 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: Cc1cc(C)cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)c1.Cc1cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc(C)c1C.Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7ccc(C)c(C)c7C)ccc6cc5c3cc24)c(C)c1C
• InChI: InChI=1S/2C57H46N2O2.C55H42N2O2/c1-33-18-24-52(37(5)35(33)3)58(44-14-10-8-11-15-44)46-22-20-40-28-48-50-32-51-49-29-41-21-23-47(59(45-16-12-9-13-17-45)53-25-19-34(2)36(4)38(53)6)27-43(41)31-55(49)61-57(51)39(7)56(50)60-54(48)30-42(40)26-46;1-33-22-48(23-34(2)37(33)5)58(44-14-10-8-11-15-44)46-20-18-40-28-50-52-32-53-51-29-41-19-21-47(59(45-16-12-9-13-17-45)49-24-35(3)38(6)36(4)25-49)27-43(41)31-55(51)61-57(53)39(7)56(52)60-54(50)30-42(40)26-46;1-33-20-34(2)23-46(22-33)56(42-12-8-6-9-13-42)44-18-16-38-28-48-50-32-51-49-29-39-17-19-45(57(43-14-10-7-11-15-43)47-24-35(3)21-36(4)25-47)27-41(39)31-53(49)59-55(51)37(5)54(50)58-52(48)30-40(38)26-44/h2*8-32H,1-7H3;6-32H,1-5H3
• InChIKey: VETMFONTRUZMGE-UHFFFAOYSA-N
• XLogP: 50.05
• TPSA: 98.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.97
LogP ≤ 5	50.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 161278527) is 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is Cc1cc(C)cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)c1.Cc1cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc(C)c1C.Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7ccc(C)c(C)c7C)ccc6cc5c3cc24)c(C)c1C.

What is the InChIKey of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is VETMFONTRUZMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H46N2O2.C55H42N2O2/c1-33-18-24-52(37(5)35(33)3)58(44-14-10-8-11-15-44)46-22-20-40-28-48-50-32-51-49-29-41-21-23-47(59(45-16-12-9-13-17-45)53-25-19-34(2)36(4)38(53)6)27-43(41)31-55(49)61-57(51)39(7)56(50)60-54(48)30-42(40)26-46;1-33-22-48(23-34(2)37(33)5)58(44-14-10-8-11-15-44)46-20-18-40-28-50-52-32-53-51-29-41-19-21-47(59(45-16-12-9-13-17-45)49-24-35(3)38(6)36(4)25-49)27-43(41)31-55(51)61-57(53)39(7)56(52)60-54(50)30-42(40)26-46;1-33-20-34(2)23-46(22-33)56(42-12-8-6-9-13-42)44-18-16-38-28-48-50-32-51-49-29-39-17-19-45(57(43-14-10-7-11-15-43)47-24-35(3)21-36(4)25-47)27-41(39)31-53(49)59-55(51)37(5)54(50)58-52(48)30-40(38)26-44/h2*8-32H,1-7H3;6-32H,1-5H3.

What are the key properties of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 2344.97 g/mol, XLogP of 50.05, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 161278527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).